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- W2019464770 abstract "First principles studies on the ground state structure, binding energy, spin multiplicity, and the noncollinearity of local spin moments in Fen and Fen− clusters and their oxides, viz., FenO2 and FenO2− have been carried out within a density functional formalism. The ground states of Fen and Fen− clusters have collinear spins with a magnetic moment of around 3.0 μB per atom. The O2 molecule is found to be dissociatively absorbed and its most significant effect on spin occurs in Fe2, where Fe2O2 and Fe2O2− show antiferromagnetic and noncollinear spin arrangements, respectively. The calculated adiabatic electron affinity and the vertical transitions from the anion to the neutral species are found to be in good agreement with the available negative ion photodetachment spectra, providing support to the calculated ground states including the noncollinear ones." @default.
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- W2019464770 date "2010-05-21" @default.
- W2019464770 modified "2023-09-25" @default.
- W2019464770 title "Magnetic moment and local moment alignment in anionic and/or oxidized Fen clusters" @default.
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- W2019464770 doi "https://doi.org/10.1063/1.3425879" @default.
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